Chemical ID: 7142719

CCCCN=C1N(C(=O)C(=Cc2ccc(cc2Cl)Cl)S1)CCCC
Chemical ID:
7142719
Name [?]:
3-butyl-2-butylimino-5-[(2,4-dichlorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCCCN=C1N(C(=O)C(=Cc2ccc(cc2Cl)Cl)S1)CCCC
InChi [?]:
InChI=1/C18H22Cl2N2OS/c1-3-5-9-21-18-22(10-6-4-2)17(23)16(24-18)11-13-7-8-14(19)12-15(13)20/h7-8,11-12H,3-6,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,23,3,22,13,14,4,21,11,16,12,15,17,10,8,6,19,18,5,7,9,20/rA:24nCCCCNCNCOCCCCCCCCClClSCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;s15;s6s10;s7;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22Cl2N2OS
All Atoms:46
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:13.8949
Area:624.48
Solvation:-1.71715
Coulombic:-27.4476
Bond Count [?]
All:25
Single:19
Double:6
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.73
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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